methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate

C21H29NO3Si — CID 102381973

IUPACmethyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@@H]2C=C[C@H]1N2c1ccccc1
InChIInChI=1S/C21H29NO3Si/c1-21(2,3)26(5,6)25-18-14-16-12-13-17(19(18)20(23)24-4)22(16)15-10-8-7-9-11-15/h7-13,16-17H,14H2,1-6H3/t16-,17+/m0/s1
InChIKeySGEASAKGDXGUKA-DLBZAZTESA-N
MW371.55 g/mol
LogP4.65
Rot. Bonds4

About methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate

methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (PubChem CID 102381973) has the molecular formula C21H29NO3Si and a molecular weight of 371.55 g/mol. Its IUPAC name is methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
PubChem CID102381973
Molecular FormulaC21H29NO3Si
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Namemethyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@@H]2C=C[C@H]1N2c1ccccc1
InChIInChI=1S/C21H29NO3Si/c1-21(2,3)26(5,6)25-18-14-16-12-13-17(19(18)20(23)24-4)22(16)15-10-8-7-9-11-15/h7-13,16-17H,14H2,1-6H3/t16-,17+/m0/s1
InChIKeySGEASAKGDXGUKA-DLBZAZTESA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-O-tert-butyl 2-O-methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-azabicyclo[3.2.1]octa-2,6-diene-2,8-dicarboxylate
CID 102157453
methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate
CID 102223693
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxo-8-phenyl-1,2,7,8-tetrahydropyrazolo[1,2-a]pyridazine-6-carboxylate
CID 102108293
methyl (5S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,3-diene-1-carboxylate
CID 11108372
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
(1S,2S,3R,7S,11S,12S,16R)-9-[tert-butyl(dimethyl)silyl]oxy-5,14-diphenyl-17-oxa-5,14-diazapentacyclo[9.5.1.02,10.03,7.012,16]heptadec-9-ene-4,6,13,15-tetrone
CID 10840801
methyl (3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 91058414
[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
CID 132508017
tert-butyl (2S,4S,5S,6R)-5-acetamido-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylpiperidine-2-carboxylate
CID 14805130
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The IUPAC name of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (CID 102381973) is methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.
What is the SMILES notation for methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The canonical SMILES for methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is COC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@@H]2C=C[C@H]1N2c1ccccc1.
What is the InChIKey of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
The InChIKey is SGEASAKGDXGUKA-DLBZAZTESA-N. The full InChI is InChI=1S/C21H29NO3Si/c1-21(2,3)26(5,6)25-18-14-16-12-13-17(19(18)20(23)24-4)22(16)15-10-8-7-9-11-15/h7-13,16-17H,14H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?
methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate has a molecular weight of 371.55 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-8-azabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is sourced from PubChem (CID 102381973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).